SCHEMBL18173713

SCHEMBL18173713

COc1cccc2cc(C(C)(CC(=O)O)N[S@+]([O-])C(C)(C)C)oc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.44
ADORA2A P29274 6/20 0.43
ADORA2B P29275 2/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18173710 1.00 KMT2A (0.46) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL18173712 1.00 KMT2A (0.46) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL18180682 0.92 LMNA (0.44) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL20389604 0.92 LMNA (0.44) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL18173680 0.78 KMT2A (0.56) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL18173682 0.78 KMT2A (0.56) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL18180635 0.72 KMT2A (0.55) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL20389614 0.72 KMT2A (0.55) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL11887407 0.70 LMNA (0.54) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL3655112 0.69 CYP2C19 (0.50) KMT2AMEN1RAB9ARECQLALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10870635-B2 Compounds and their use as BACE1 inhibitors ALLGENESIS BIOTHERAPEUTICS, INC. (TW) 2020-12-22 US disclosed
CN-107613771-B Compounds and their use as beta-secretase 1 inhibitors 新源生物科技股份有限公司 2020-12-15 CN disclosed
US-20180201604-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS ALLGENESIS BIOTHERAPEUTICS, INC. (TW) 2018-07-19 US disclosed
EP-3250035-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS Allgenesis Biotherapeutics Inc. (TW) 2017-12-06 EP disclosed
WO-2016172255-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS ALLGENESIS BIOTHERAPEUTICS, INC. (TW) 2016-10-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10870635-B2 Compounds and their use as BACE1 inhibitors BACE1, BACE2, APP KMT2A 3744/4885MEN1 1510/4885RAB9A 409/4885
US-20180201604-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS BACE1, BACE2, APP KMT2A 3811/4885MEN1 1461/4885RAB9A 388/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.